N-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine

C16H11Cl2N5S — CID 59339298

IUPACN-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
SMILESClc1ccc(Cc2nnc3sc(Nc4cccc(Cl)c4)nn23)cc1
InChIInChI=1S/C16H11Cl2N5S/c17-11-6-4-10(5-7-11)8-14-20-21-16-23(14)22-15(24-16)19-13-3-1-2-12(18)9-13/h1-7,9H,8H2,(H,19,22)
InChIKeyVAENWOVXJAQARL-UHFFFAOYSA-N
MW376.27 g/mol
LogP4.83
Rot. Bonds4

About N-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine

N-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine (PubChem CID 59339298) has the molecular formula C16H11Cl2N5S and a molecular weight of 376.27 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
PubChem CID59339298
Molecular FormulaC16H11Cl2N5S
Molecular Weight376.27 g/mol
Exact Mass375.01
IUPAC NameN-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
SMILESClc1ccc(Cc2nnc3sc(Nc4cccc(Cl)c4)nn23)cc1
InChIInChI=1S/C16H11Cl2N5S/c17-11-6-4-10(5-7-11)8-14-20-21-16-23(14)22-15(24-16)19-13-3-1-2-12(18)9-13/h1-7,9H,8H2,(H,19,22)
InChIKeyVAENWOVXJAQARL-UHFFFAOYSA-N
XLogP4.83
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.27
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The IUPAC name of N-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine (CID 59339298) is N-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine.
What is the SMILES notation for N-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The canonical SMILES for N-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine is Clc1ccc(Cc2nnc3sc(Nc4cccc(Cl)c4)nn23)cc1.
What is the InChIKey of N-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
The InChIKey is VAENWOVXJAQARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N5S/c17-11-6-4-10(5-7-11)8-14-20-21-16-23(14)22-15(24-16)19-13-3-1-2-12(18)9-13/h1-7,9H,8H2,(H,19,22).
What are the key properties of N-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine?
N-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine has a molecular weight of 376.27 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine is sourced from PubChem (CID 59339298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).